SCHEMBL19705467

SCHEMBL19705467

CCCCn1nc(SCC(F)(F)F)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RGS4 P49798 1/20 0.32
▸ RGS8 P57771 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ BCHE P06276 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ LIPE Q05469 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19608613 0.96 ALDH1A1 (0.33) CNR1CNR2MEN1KMT2AMAPK1
SCHEMBL17812989 0.79 LIPE (0.35) BCHEACHELIPE
SCHEMBL19608723 0.78 PTGS1 (0.37) CNR2MEN1KMT2AMAPK1
SCHEMBL19608600 0.73 PTGS1 (0.38) CNR2MEN1KMT2AMAPK1
SCHEMBL19601484 0.73 LIPE (0.34) BCHEACHELIPE
SCHEMBL19608776 0.69 CNR1 (0.34) HTTCNR1CNR2
SCHEMBL14400498 0.68 MEN1 (0.47) MEN1KMT2ARXFP1MAPK1
SCHEMBL14372254 0.67 NPC1 (0.34) RGS4RGS8HTTMEN1KMT2A
SCHEMBL19608595 0.66 PTGS1 (0.40) HTTCNR2MAPK1
SCHEMBL10418344 0.66 PTGS1 (0.33) RGS4RGS8CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 RGS4 1485/4885RGS8 1016/4885HTT 3334/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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